N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide

C43H31N3O — CID 171587185

IUPACN-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide
SMILESN/C(=N\C(=N/Cc1cccc2oc3ccccc3c12)c1ccc2cc(-c3ccccc3)ccc2c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C43H31N3O/c44-42(35-16-9-15-31(26-35)29-11-3-1-4-12-29)46-43(45-28-37-17-10-20-40-41(37)38-18-7-8-19-39(38)47-40)36-24-23-33-25-32(21-22-34(33)27-36)30-13-5-2-6-14-30/h1-27H,28H2,(H2,44,45,46)
InChIKeyOVJQDDILEQJAFK-UHFFFAOYSA-N
MW605.74 g/mol
LogP10.43
Rot. Bonds6

About N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide

N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide (PubChem CID 171587185) has the molecular formula C43H31N3O and a molecular weight of 605.74 g/mol. Its IUPAC name is N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide.

Molecular Properties

Compound NameN-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide
PubChem CID171587185
Molecular FormulaC43H31N3O
Molecular Weight605.74 g/mol
Exact Mass605.25
IUPAC NameN-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide
SMILESN/C(=N\C(=N/Cc1cccc2oc3ccccc3c12)c1ccc2cc(-c3ccccc3)ccc2c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C43H31N3O/c44-42(35-16-9-15-31(26-35)29-11-3-1-4-12-29)46-43(45-28-37-17-10-20-40-41(37)38-18-7-8-19-39(38)47-40)36-24-23-33-25-32(21-22-34(33)27-36)30-13-5-2-6-14-30/h1-27H,28H2,(H2,44,45,46)
InChIKeyOVJQDDILEQJAFK-UHFFFAOYSA-N
XLogP10.43
TPSA63.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.74
LogP ≤ 510.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[C-naphthalen-2-yl-N-[[8-(3-phenylphenyl)dibenzofuran-1-yl]methyl]carbonimidoyl]dibenzofuran-3-carboximidamide
CID 170246169
7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide
CID 170243820
N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 166988217
N'-[C-(3-methylcyclohexa-1,5-dien-1-yl)-N-[(8-naphthalen-2-yldibenzofuran-1-yl)methyl]carbonimidoyl]-4-naphthalen-1-ylbenzenecarboximidamide
CID 170125500
N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide
CID 170218964
N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide
CID 170145480
N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
CID 162363127
N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 144645775
N'-[N-(dibenzothiophen-4-ylmethyl)-C-phenylcarbonimidoyl]-4,8-diphenyldibenzofuran-1-carboximidamide
CID 153340749
N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide
CID 153369404
N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549

Frequently Asked Questions

What is the IUPAC name of N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide?
The IUPAC name of N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide (CID 171587185) is N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide.
What is the SMILES notation for N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide?
The canonical SMILES for N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide is N/C(=N\C(=N/Cc1cccc2oc3ccccc3c12)c1ccc2cc(-c3ccccc3)ccc2c1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide?
The InChIKey is OVJQDDILEQJAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3O/c44-42(35-16-9-15-31(26-35)29-11-3-1-4-12-29)46-43(45-28-37-17-10-20-40-41(37)38-18-7-8-19-39(38)47-40)36-24-23-33-25-32(21-22-34(33)27-36)30-13-5-2-6-14-30/h1-27H,28H2,(H2,44,45,46).
What are the key properties of N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide?
N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide has a molecular weight of 605.74 g/mol, XLogP of 10.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide is sourced from PubChem (CID 171587185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).